KEGG   COMPOUND: C20200
Entry
C20200                      Compound                               
Name
Baruol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
Other DBs
PubChem: 163311943
KCF data

ATOM        31
            1   C1x C    12.0462  -16.1846
            2   C1y C    12.0462  -17.5752
            3   C1z C    13.2506  -18.2706
            4   C2y C    14.4550  -17.5752
            5   C1y C    14.4550  -16.1846
            6   C1x C    13.2506  -15.4892
            7   C2x C    15.6595  -18.2706
            8   C1x C    16.8637  -17.5752
            9   C1y C    16.8637  -16.1846
            10  C1z C    15.6595  -15.4892
            11  C1z C    18.0681  -15.4892
            12  C1z C    18.0682  -14.0986
            13  C1x C    16.8638  -13.4032
            14  C1x C    15.6595  -14.0986
            15  C1x C    19.2726  -16.1846
            16  C1x C    20.4770  -15.4892
            17  C1z C    20.4770  -14.0986
            18  C1x C    19.2726  -13.4032
            19  C1b C    21.6686  -13.4105
            20  C1b C    22.8499  -14.0925
            21  C2b C    24.0324  -13.4098
            22  C2c C    25.2145  -14.0922
            23  C1a C    18.0681  -16.8799
            24  C1a C    18.0682  -12.7078
            25  C1a C    20.4770  -12.6390
            26  C1a C    26.3967  -13.4096
            27  C1a C    25.2146  -15.4890
            28  C1a C    12.5626  -19.6687
            29  C1a C    13.9386  -19.6687
            30  O1a O    10.8487  -18.2667
            31  C1a C    15.2438  -16.8747
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1 #Down
            23   19  20 1
            24   20  21 1
            25   21  22 2
            26   11  23 1 #Up
            27   12  24 1 #Down
            28   17  25 1 #Up
            29   22  26 1
            30   22  27 1
            31    3  28 1
            32    3  29 1
            33    2  30 1 #Up
            34   10  31 1 #Up

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